Structure of PDB 6vqt Chain A Binding Site BS01

Receptor Information
>6vqt Chain A (length=584) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGWQTLKRFLPYLWPADNAVLRRRVVGAILMVLLGKATTLALPFAYKKAV
DAMTLGGGAQPALTVALAFVLAYALGRFSGVLFDNLRNIVFERVGQDATR
HLAENVFARLHKLSLRFHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAP
TVIELTAVIVIFWLNFGLGLVTATILAVIAYVWTTRTITEWRTHLREKMN
RLDGQALARAVDSLLNYETVKYFGAESREEARYASAARAYADAAVKSENS
LGLLNIAQALIVNLLMAGAMAWTVYGWSQGKLTVGDLVFVNTYLTQLFRP
LDMLGMVYRTIRQGLIDMAEMFRLIDTHIEVADVPNAPALVVNRPSVTFD
NVVFGYDRDREILHGLSFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPW
EGRILIDGQDIAHVTQTSLRAALGIVPQDSVLFNDTIGYNIAYGRDGASR
AEVDAAAKGAAIADFIARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVK
NPPILLFDEATSALDTRTEQDILSTMRAVASHRTTISIAHRLSTIADSDT
ILVLDQGRLAEQGSHLDLLRRDGLYAEMWARQAA
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6vqt Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6vqt A structural framework for unidirectional transport by a bacterial ABC exporter.
Resolution3.03 Å
Binding residue
(original residue number in PDB)		Y370 S396 G399 K400 S401
Binding residue
(residue number reindexed from 1)		Y356 S382 G385 K386 S387
Annotation score5
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0046689 response to mercury ion
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6vqt, PDBe:6vqt, PDBj:6vqt
PDBsum6vqt
PubMed32703810
UniProtQ2G506|ATM1_NOVAD ATM1-type heavy metal exporter (Gene Name=atm1)

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